Information card for entry 7023510

Structure parameters

• Formula: C69 H46 Br4 Cl2 Cu F6 N4 P
• Calculated formula: C69 H46 Br4 Cl2 Cu F6 N4 P
• Title of publication: Improving the photoresponse of copper(I) dyes in dye-sensitized solar cells by tuning ancillary and anchoring ligand modules.
• Authors of publication: Bozic-Weber, Biljana; Brauchli, Sven Y.; Constable, Edwin C.; Fürer, Sebastian O; Housecroft, Catherine E.; Malzner, Frederik J.; Wright, Iain A.; Zampese, Jennifer A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 34
• Pages of publication: 12293 - 12308
• a: 7.556 ± 0.0015 Å
• b: 28.392 ± 0.007 Å
• c: 27.854 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5976 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.2739
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No